In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 29 | Yes |
Popular Name: 1-[(4-butoxyphenyl)methyl]-4-(3,5-difluorophenyl)sulfonyl-piperazine 1-[(4-butoxyphenyl)methyl]-4-(3,…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.29 | 7.63 | -8.48 | 0 | 5 | 0 | 50 | 424.513 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 9.85 | -50.43 | 1 | 5 | 1 | 51 | 425.521 | 8 | ↓ |